N,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyrimidin-2-amine

C19H23N7O — CID 66557055

IUPACN,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyrimidin-2-amine
SMILESCN(C)c1ncc(-c2cc3nccnc3c(OC[C@H]3CCCNC3)n2)cn1
InChIInChI=1S/C19H23N7O/c1-26(2)19-23-10-14(11-24-19)15-8-16-17(22-7-6-21-16)18(25-15)27-12-13-4-3-5-20-9-13/h6-8,10-11,13,20H,3-5,9,12H2,1-2H3/t13-/m0/s1
InChIKeyITTZNOUXURGJLJ-ZDUSSCGKSA-N
MW365.44 g/mol
LogP1.93
Rot. Bonds5

About N,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyrimidin-2-amine

N,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyrimidin-2-amine (PubChem CID 66557055) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is N,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyrimidin-2-amine
PubChem CID66557055
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC NameN,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyrimidin-2-amine
SMILESCN(C)c1ncc(-c2cc3nccnc3c(OC[C@H]3CCCNC3)n2)cn1
InChIInChI=1S/C19H23N7O/c1-26(2)19-23-10-14(11-24-19)15-8-16-17(22-7-6-21-16)18(25-15)27-12-13-4-3-5-20-9-13/h6-8,10-11,13,20H,3-5,9,12H2,1-2H3/t13-/m0/s1
InChIKeyITTZNOUXURGJLJ-ZDUSSCGKSA-N
XLogP1.93
TPSA88.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyrimidin-2-amine (CID 66557055) is N,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyrimidin-2-amine is CN(C)c1ncc(-c2cc3nccnc3c(OC[C@H]3CCCNC3)n2)cn1.
What is the InChIKey of N,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyrimidin-2-amine?
The InChIKey is ITTZNOUXURGJLJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N7O/c1-26(2)19-23-10-14(11-24-19)15-8-16-17(22-7-6-21-16)18(25-15)27-12-13-4-3-5-20-9-13/h6-8,10-11,13,20H,3-5,9,12H2,1-2H3/t13-/m0/s1.
What are the key properties of N,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyrimidin-2-amine?
N,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyrimidin-2-amine has a molecular weight of 365.44 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyrimidin-2-amine is sourced from PubChem (CID 66557055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).